4-(4-tert-butylpiperidin-1-yl)-3-iodoaniline

C15H23IN2 — CID 66095409

IUPAC4-(4-tert-butylpiperidin-1-yl)-3-iodoaniline
SMILESCC(C)(C)C1CCN(c2ccc(N)cc2I)CC1
InChIInChI=1S/C15H23IN2/c1-15(2,3)11-6-8-18(9-7-11)14-5-4-12(17)10-13(14)16/h4-5,10-11H,6-9,17H2,1-3H3
InChIKeyISWBCIVMYBCWJR-UHFFFAOYSA-N
MW358.27 g/mol
LogP4.14
Rot. Bonds1

About 4-(4-tert-butylpiperidin-1-yl)-3-iodoaniline

4-(4-tert-butylpiperidin-1-yl)-3-iodoaniline (PubChem CID 66095409) has the molecular formula C15H23IN2 and a molecular weight of 358.27 g/mol. Its IUPAC name is 4-(4-tert-butylpiperidin-1-yl)-3-iodoaniline.

Molecular Properties

Compound Name4-(4-tert-butylpiperidin-1-yl)-3-iodoaniline
PubChem CID66095409
Molecular FormulaC15H23IN2
Molecular Weight358.27 g/mol
Exact Mass358.09
IUPAC Name4-(4-tert-butylpiperidin-1-yl)-3-iodoaniline
SMILESCC(C)(C)C1CCN(c2ccc(N)cc2I)CC1
InChIInChI=1S/C15H23IN2/c1-15(2,3)11-6-8-18(9-7-11)14-5-4-12(17)10-13(14)16/h4-5,10-11H,6-9,17H2,1-3H3
InChIKeyISWBCIVMYBCWJR-UHFFFAOYSA-N
XLogP4.14
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.27
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-iodo-4-[4-(methoxymethyl)piperidin-1-yl]aniline
CID 66093988
3-iodo-4-[3-(methoxymethyl)pyrrolidin-1-yl]aniline
CID 66093163
[4-(4-tert-butylpiperidin-1-yl)-3-chlorophenyl]methanamine
CID 63088019
4-(4-tert-butylpiperidin-1-yl)benzene-1,2-diamine
CID 106750697
2-[1-(4-amino-2-iodophenyl)pyrrolidin-3-yl]ethanol
CID 114796849
3-iodo-4-[4-(2-methylpropyl)piperazin-1-yl]aniline
CID 66095825
4-[4-(2-fluorophenyl)piperazin-1-yl]-3-iodoaniline
CID 66094574
1-(4-amino-2-iodophenyl)-N,N,4-trimethylpyrrolidin-3-amine
CID 81464187
1-(4-amino-2-iodophenyl)-4-methylazepan-4-ol
CID 107403607
[2-(4-tert-butylpiperidin-1-yl)-5-methylphenyl]methanamine
CID 107926168
4-(4-tert-butylazepan-1-yl)benzene-1,2-diamine
CID 106750874
4-(4-tert-butylpiperidin-1-yl)-2-chloro-5-methylaniline
CID 115554840

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylpiperidin-1-yl)-3-iodoaniline?
The IUPAC name of 4-(4-tert-butylpiperidin-1-yl)-3-iodoaniline (CID 66095409) is 4-(4-tert-butylpiperidin-1-yl)-3-iodoaniline.
What is the SMILES notation for 4-(4-tert-butylpiperidin-1-yl)-3-iodoaniline?
The canonical SMILES for 4-(4-tert-butylpiperidin-1-yl)-3-iodoaniline is CC(C)(C)C1CCN(c2ccc(N)cc2I)CC1.
What is the InChIKey of 4-(4-tert-butylpiperidin-1-yl)-3-iodoaniline?
The InChIKey is ISWBCIVMYBCWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23IN2/c1-15(2,3)11-6-8-18(9-7-11)14-5-4-12(17)10-13(14)16/h4-5,10-11H,6-9,17H2,1-3H3.
What are the key properties of 4-(4-tert-butylpiperidin-1-yl)-3-iodoaniline?
4-(4-tert-butylpiperidin-1-yl)-3-iodoaniline has a molecular weight of 358.27 g/mol, XLogP of 4.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylpiperidin-1-yl)-3-iodoaniline is sourced from PubChem (CID 66095409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).